6JMY
 
 | | Structure of wild type closed form of peptidoglycan peptidase | | Descriptor: | CITRIC ACID, Peptidase M23, ZINC ION | | Authors: | Min, K.J, An, D.R, Yoon, H.J, Suh, S.W, Lee, H.H. | | Deposit date: | 2019-03-13 | | Release date: | 2020-01-15 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (1.661 Å) | | Cite: | Peptidoglycan reshaping by a noncanonical peptidase for helical cell shape in Campylobacter jejuni.
Nat Commun, 11, 2020
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6KGY
 | | HOCl-induced flavoprotein disulfide reductase RclA from Escherichia coli | | Descriptor: | CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, Pyridine nucleotide-disulphide oxidoreductase dimerisation region | | Authors: | Baek, Y, Ha, N.-C. | | Deposit date: | 2019-07-12 | | Release date: | 2020-02-05 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Structure and function of the hypochlorous acid-induced flavoprotein RclA fromEscherichia coli.
J.Biol.Chem., 295, 2020
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5YDV
 | | Regulatory domain of HypT from Salmonella typhimurium complexed with HOCl (HOCl-bound form) | | Descriptor: | Cell density-dependent motility repressor, SULFATE ION, hypochlorous acid | | Authors: | Jo, I, Hong, S, Ahn, J, Ha, N.C. | | Deposit date: | 2017-09-14 | | Release date: | 2018-11-28 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.752 Å) | | Cite: | Structural basis for HOCl recognition and regulation mechanisms of HypT, a hypochlorite-specific transcriptional regulator.
Proc. Natl. Acad. Sci. U.S.A., 116, 2019
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5YEZ
 | | Regulatory domain of HypT M206Q mutant from Salmonella typhimurium | | Descriptor: | Cell density-dependent motility repressor | | Authors: | Jo, I, Hong, S, Ahn, J, Ha, N.C. | | Deposit date: | 2017-09-20 | | Release date: | 2018-10-03 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Structural basis for HOCl recognition and regulation mechanisms of HypT, a hypochlorite-specific transcriptional regulator.
Proc. Natl. Acad. Sci. U.S.A., 116, 2019
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5YDW
 | | Full-length structure of HypT from Salmonella typhimuriuma (hypochlorite-specific LysR-type transcriptional regulator) | | Descriptor: | Cell density-dependent motility repressor | | Authors: | Jo, I, Hong, S, Ahn, J, Ha, N.C. | | Deposit date: | 2017-09-15 | | Release date: | 2018-11-28 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (3.3 Å) | | Cite: | Structural basis for HOCl recognition and regulation mechanisms of HypT, a hypochlorite-specific transcriptional regulator.
Proc. Natl. Acad. Sci. U.S.A., 116, 2019
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5YER
 | | Regulatory domain of HypT from Salmonella typhimurium (Bromide ion-bound) | | Descriptor: | BROMIDE ION, Cell density-dependent motility repressor, SULFATE ION | | Authors: | Jo, I, Hong, S, Ahn, J, Ha, N.C. | | Deposit date: | 2017-09-19 | | Release date: | 2018-11-28 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.301 Å) | | Cite: | Structural basis for HOCl recognition and regulation mechanisms of HypT, a hypochlorite-specific transcriptional regulator.
Proc. Natl. Acad. Sci. U.S.A., 116, 2019
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5YDO
 | | Regulatory domain of HypT from Salmonella typhimurium (apo-form) | | Descriptor: | Cell density-dependent motility repressor, SULFATE ION | | Authors: | Jo, I, Hong, S, Ahn, J, Ha, N.C. | | Deposit date: | 2017-09-13 | | Release date: | 2018-11-28 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structural basis for HOCl recognition and regulation mechanisms of HypT, a hypochlorite-specific transcriptional regulator.
Proc. Natl. Acad. Sci. U.S.A., 116, 2019
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5WZY
 | | Crystal structure of the P2X4 receptor from zebrafish in the presence of CTP at 2.8 Angstroms | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CYTIDINE-5'-TRIPHOSPHATE, GLYCEROL, ... | | Authors: | Kasuya, G, Hattori, M, Nureki, O. | | Deposit date: | 2017-01-19 | | Release date: | 2017-04-05 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.799 Å) | | Cite: | Structural insights into the nucleotide base specificity of P2X receptors
Sci Rep, 7, 2017
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7ERQ
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7ERP
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7FDF
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7E69
 | | The crystal structure of peptidoglycan peptidase in complex with inhibitor 3-3 | | Descriptor: | N-oxidanyl-4-[(4-sulfamoylphenyl)methyl]benzamide, Peptidase M23, ZINC ION | | Authors: | Choi, Y, Min, K.J, Yoon, H.J, Lee, H.H. | | Deposit date: | 2021-02-21 | | Release date: | 2022-02-23 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.61 Å) | | Cite: | Structure-based inhibitor design for reshaping bacterial morphology
Commun Biol, 5, 2022
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7E65
 | | The crystal structure of peptidoglycan peptidase in complex with inhibitor 3 | | Descriptor: | (2S)-2-acetamido-N-[(2R)-1-(oxidanylamino)-1-oxidanylidene-propan-2-yl]-3-(4-sulfamoylphenyl)propanamide, Peptidase M23, ZINC ION | | Authors: | Choi, Y, Min, K.J, Yoon, H.J, Lee, H.H. | | Deposit date: | 2021-02-21 | | Release date: | 2022-02-23 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | Structure-based inhibitor design for reshaping bacterial morphology
Commun Biol, 5, 2022
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7E64
 | | The crystal structure of peptidoglycan peptidase in complex with inhibitor 2-2 | | Descriptor: | 2-[[(3S)-3-acetamido-4-[[(2R)-1-(oxidanylamino)-1-oxidanylidene-propan-2-yl]amino]-4-oxidanylidene-butyl]amino]ethanoic acid, Peptidase M23, ZINC ION | | Authors: | Choi, Y, Min, K.J, Yoon, H.J, Lee, H.H. | | Deposit date: | 2021-02-21 | | Release date: | 2022-02-23 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Structure-based inhibitor design for reshaping bacterial morphology
Commun Biol, 5, 2022
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7E60
 | | The crystal structure of peptidoglycan peptidase in complex with inhibitor 1 | | Descriptor: | (2~{R},6~{S})-2,6-diacetamido-7-[[(2~{R})-1-(oxidanylamino)-1-oxidanylidene-propan-2-yl]amino]-7-oxidanylidene-heptanoic acid, Peptidase M23, ZINC ION | | Authors: | Min, K, Yoon, H.J, Choi, Y, Lee, H.H. | | Deposit date: | 2021-02-21 | | Release date: | 2022-02-23 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.24 Å) | | Cite: | Structure-based inhibitor design for reshaping bacterial morphology
Commun Biol, 5, 2022
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7E67
 | | The crystal structure of peptidoglycan peptidase in complex with inhibitor 3-2 | | Descriptor: | N-oxidanyl-2-[4-(4-sulfamoylphenyl)phenyl]ethanamide, Peptidase M23, ZINC ION | | Authors: | Choi, Y, Min, K.J, Yoon, H.J, Lee, H.H. | | Deposit date: | 2021-02-21 | | Release date: | 2022-02-23 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.85 Å) | | Cite: | Structure-based inhibitor design for reshaping bacterial morphology
Commun Biol, 5, 2022
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7E61
 | | The crystal structure of peptidoglycan peptidase in complex with inhibitor 2 | | Descriptor: | 2-[[(3S)-3-acetamido-4-[[(2R)-1-(oxidanylamino)-1-oxidanylidene-propan-2-yl]amino]-4-oxidanylidene-butyl]-(phenylmethyl)amino]ethanoic acid, Peptidase M23, ZINC ION | | Authors: | Min, K.J, Yoon, H.J, Choi, Y, Lee, H.H. | | Deposit date: | 2021-02-21 | | Release date: | 2022-02-23 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structure-based inhibitor design for reshaping bacterial morphology
Commun Biol, 5, 2022
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7E63
 | | The crystal structure of peptidoglycan peptidase in complex with inhibitor 2-1 | | Descriptor: | 2-[[(3S)-3-acetamido-4-[[(2R)-1-(oxidanylamino)-1-oxidanylidene-propan-2-yl]amino]-4-oxidanylidene-butyl]-(cyclopentylmethyl)amino]ethanoic acid, Peptidase M23, ZINC ION | | Authors: | Choi, Y, Min, K.J, Yoon, H.J, Lee, H.H. | | Deposit date: | 2021-02-21 | | Release date: | 2022-02-23 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structure-based inhibitor design for reshaping bacterial morphology
Commun Biol, 5, 2022
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7E66
 | | The crystal structure of peptidoglycan peptidase in complex with inhibitor 3-1 | | Descriptor: | N-[2-(oxidanylamino)-2-oxidanylidene-ethyl]-2-(4-sulfamoylphenyl)ethanamide, Peptidase M23, ZINC ION | | Authors: | Choi, Y, Min, K.J, Yoon, H.J, Lee, H.H. | | Deposit date: | 2021-02-21 | | Release date: | 2022-02-23 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.84 Å) | | Cite: | Structure-based inhibitor design for reshaping bacterial morphology
Commun Biol, 5, 2022
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5Z2W
 | | Crystal structure of the bacterial cell division protein FtsQ and FtsB | | Descriptor: | Cell division protein FtsB, Cell division protein FtsQ, MAGNESIUM ION | | Authors: | Choi, Y, Yoon, H.J, Lee, H.H. | | Deposit date: | 2018-01-04 | | Release date: | 2019-01-02 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Structural Insights into the FtsQ/FtsB/FtsL Complex, a Key Component of the Divisome.
Sci Rep, 8, 2018
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7DPY
 | | Structure of Brucella abortus PhiA | | Descriptor: | Brucella Abortus PhiA | | Authors: | Hyun, Y, Ha, N.-C. | | Deposit date: | 2020-12-22 | | Release date: | 2021-06-23 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structure and Function of the Autolysin SagA in the Type IV Secretion System of Brucella abortus .
Mol.Cells, 44, 2021
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7DNP
 | | Structure of Brucella abortus SagA | | Descriptor: | (2R)-2-[[(2S)-2-[[(2R)-2-[(2R,3S,4R,5R,6S)-5-acetamido-3-[(2S,3R,4R,5S,6R)-3-acetamido-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-2-yl]oxy-2-(hydroxymethyl)-6-oxidanyl-oxan-4-yl]oxypropanoyl]amino]propanoyl]amino]pentanedioic acid, Secretion activator protein, hypothetical | | Authors: | Hyun, Y, Ha, N.-C. | | Deposit date: | 2020-12-10 | | Release date: | 2021-06-23 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structure and Function of the Autolysin SagA in the Type IV Secretion System of Brucella abortus .
Mol.Cells, 44, 2021
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8DD5
 | | Crystal structure of KAT6A in complex with inhibitor CTx-648 (PF-9363) | | Descriptor: | 2,6-dimethoxy-N-{4-methoxy-6-[(1H-pyrazol-1-yl)methyl]-1,2-benzoxazol-3-yl}benzene-1-sulfonamide, Histone acetyltransferase KAT6A, ZINC ION | | Authors: | Greasley, S.E, Johnson, E, Brodsky, O. | | Deposit date: | 2022-06-17 | | Release date: | 2023-07-05 | | Method: | X-RAY DIFFRACTION (2.58 Å) | | Cite: | Targeting KAT6A/KAT6B dependencies in breast cancer with a novel selective, orally bioavailable KAT6 inhibitor, CTx-648/PF-9363
To Be Published
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4W2R
 | | Structure of Hs/AcPRC2 in complex with 5,8-dichloro-2-[(4-methoxy-6-methyl-2-oxo-1,2-dihydropyridin-3-yl)methyl]-7-[(R)-methoxy(oxetan-3-yl)methyl]-3,4-dihydroisoquinolin-1(2H)-one | | Descriptor: | 5,8-dichloro-2-[(4-methoxy-6-methyl-2-oxo-1,2-dihydropyridin-3-yl)methyl]-7-[(R)-methoxy(oxetan-3-yl)methyl]-3,4-dihydroisoquinolin-1(2H)-one, Enhancer of zeste 2 polycomb repressive complex 2 subunit, Polycomb protein EED, ... | | Authors: | Gajiwala, K.S, Brooun, A, Liu, W, Deng, Y, Stewart, A.E. | | Deposit date: | 2017-09-25 | | Release date: | 2017-12-27 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.81 Å) | | Cite: | Optimization of Orally Bioavailable Enhancer of Zeste Homolog 2 (EZH2) Inhibitors Using Ligand and Property-Based Design Strategies: Identification of Development Candidate (R)-5,8-Dichloro-7-(methoxy(oxetan-3-yl)methyl)-2-((4-methoxy-6-methyl-2-oxo-1,2-dihydropyridin-3-yl)methyl)-3,4-dihydroisoquinolin-1(2H)-one (PF-06821497).
J. Med. Chem., 61, 2018
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6B3W
 | | Structure of Hs/AcPRC2 in complex with 5,8-dichloro-7-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[(4,6-dimethyl-2-oxo-1,2-dihydropyridin-3-yl)methyl]-3,4-dihydroisoquinolin-1(2H)-one | | Descriptor: | 5,8-dichloro-7-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[(4,6-dimethyl-2-oxo-1,2-dihydropyridin-3-yl)methyl]-3,4-dihydroisoquinolin-1(2H)-one, Enhancer of zeste 2 polycomb repressive complex 2 subunit,Enhancer of zeste 2 polycomb repressive complex 2 subunit, Polycomb protein EED, ... | | Authors: | Gajiwala, K.S, Brooun, A, Liu, W, Deng, Y, Stewart, A.E. | | Deposit date: | 2017-09-25 | | Release date: | 2017-12-27 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (3.05 Å) | | Cite: | Optimization of Orally Bioavailable Enhancer of Zeste Homolog 2 (EZH2) Inhibitors Using Ligand and Property-Based Design Strategies: Identification of Development Candidate (R)-5,8-Dichloro-7-(methoxy(oxetan-3-yl)methyl)-2-((4-methoxy-6-methyl-2-oxo-1,2-dihydropyridin-3-yl)methyl)-3,4-dihydroisoquinolin-1(2H)-one (PF-06821497).
J. Med. Chem., 61, 2018
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